#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gft n GLN -1 N 0.00 3.23 0.00 -4.13 6.02 -1.26 -5.03 117.38 116.21 3gft n GLN -1 Ca 0.00 -2.77 0.00 0.00 -0.01 0.00 0.00 57.00 54.22 3gft n GLN -1 Cb 0.00 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.45 3gft n GLN -1 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gft n GLY 0 N -0.09 2.63 3.42 1.08 0.00 -1.26 -5.09 105.19 105.89 3gft n GLY 0 Ca 0.21 -2.08 -0.46 0.00 0.00 0.00 0.00 46.02 43.69 3gft n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3gft n MET 1 N -0.62 0.31 -2.28 1.61 0.00 -1.26 -4.90 117.12 109.99 3gft n MET 1 Ca 0.00 0.11 -0.40 0.00 0.00 0.00 0.00 57.70 57.41 3gft n MET 1 Cb 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 33.22 31.98 3gft n MET 1 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3gft s THR 2 N -1.18 3.06 -0.09 3.17 2.01 -1.25 -4.76 115.64 116.60 3gft s THR 2 Ca 0.62 1.05 -0.01 0.00 0.31 0.00 0.00 61.69 63.66 3gft s THR 2 Cb -0.80 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.02 3gft s THR 2 CO 0.58 0.23 -0.04 -0.70 -0.69 0.00 0.00 174.62 174.01 3gft s GLU 3 N -1.73 3.04 -0.12 4.92 2.12 -1.26 0.17 118.70 125.85 3gft s GLU 3 Ca 0.48 -0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.32 3gft s GLU 3 Cb -0.36 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.32 3gft s GLU 3 CO 0.47 0.58 -0.11 0.71 -0.54 0.00 0.00 175.26 176.36 3gft s TYR 4 N -0.57 1.76 -0.47 5.30 2.02 0.18 -4.96 117.35 120.62 3gft s TYR 4 Ca 0.09 -0.88 -0.22 0.00 -0.37 0.00 0.00 57.07 55.69 3gft s TYR 4 Cb -0.12 -1.35 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 3gft s TYR 4 CO 0.02 -0.52 0.72 0.15 -1.57 0.00 0.00 175.55 174.35 3gft s LYS 5 N 1.37 3.30 -0.07 -0.62 -0.14 -1.26 -0.39 119.74 121.92 3gft s LYS 5 Ca 0.00 -0.36 0.01 0.00 -1.36 0.00 0.00 55.97 54.26 3gft s LYS 5 Cb -0.13 -3.98 -0.03 0.00 -1.68 0.00 0.00 37.83 32.00 3gft s LYS 5 CO -0.06 -1.14 -0.07 -0.51 -0.76 0.00 0.00 175.35 172.81 3gft s LEU 6 N 3.07 3.15 -0.06 3.17 1.43 0.24 -1.08 118.68 128.61 3gft s LEU 6 Ca 0.25 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.36 3gft s LEU 6 Cb -0.14 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3gft s LEU 6 CO 0.19 0.35 -0.20 -0.69 0.23 0.00 0.00 176.35 176.24 3gft s VAL 7 N -0.76 1.67 -0.23 -1.59 1.01 -0.53 0.18 120.40 120.15 3gft s VAL 7 Ca 0.12 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3gft s VAL 7 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3gft s VAL 7 CO 0.01 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 174.88 3gft s VAL 8 N 0.10 3.63 0.21 2.92 1.01 -0.47 -0.81 120.40 126.99 3gft s VAL 8 Ca -0.07 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3gft s VAL 8 Cb -0.14 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3gft s VAL 8 CO 0.04 0.40 0.01 0.68 0.00 0.00 0.00 175.10 176.24 3gft s VAL 9 N 1.48 0.78 0.00 2.92 -7.23 0.21 -3.09 120.40 115.47 3gft s VAL 9 Ca 0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3gft s VAL 9 Cb -0.14 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3gft s VAL 9 CO -0.01 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 3gft n GLY 10 N -0.33 3.46 3.71 2.32 0.00 -1.26 -0.68 105.19 112.40 3gft n GLY 10 Ca -0.05 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 3gft n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gft s ALA 11 N -2.02 1.91 0.11 4.61 0.00 -1.26 -4.30 121.76 120.82 3gft s ALA 11 Ca 0.00 0.76 -0.35 0.00 0.00 0.00 0.00 51.96 52.37 3gft s ALA 11 Cb 0.00 -3.46 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 3gft s ALA 11 CO 0.00 -2.18 1.50 0.41 0.00 0.00 0.00 175.76 175.49 3gft n GLY 12 N 0.25 0.86 1.63 0.00 0.00 -1.26 -2.72 105.19 103.96 3gft n GLY 12 Ca 0.13 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3gft n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gft n GLY 13 N 3.11 0.70 0.23 -0.02 0.00 -1.26 -4.93 105.19 103.02 3gft n GLY 13 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3gft n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gft h VAL 14 N 0.00 0.24 0.00 1.61 -1.51 -1.88 -3.47 116.25 111.24 3gft h VAL 14 Ca 0.00 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3gft h VAL 14 Cb 0.00 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3gft h VAL 14 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 3gft n GLY 15 N 0.58 1.76 0.20 5.19 0.00 -1.26 -4.57 105.19 107.09 3gft n GLY 15 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 3gft n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gft h LYS 16 N 0.00 0.63 -0.00 1.61 1.57 -1.91 -1.01 116.57 117.47 3gft h LYS 16 Ca 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3gft h LYS 16 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.21 3gft h LYS 16 CO 0.00 0.58 -0.02 0.77 -0.57 0.00 0.00 179.45 180.21 3gft h SER 17 N 0.55 0.02 -0.98 0.86 0.02 -1.96 -2.46 113.55 109.60 3gft h SER 17 Ca 0.14 -0.72 0.16 0.00 -0.84 0.00 0.00 61.79 60.53 3gft h SER 17 Cb 0.17 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.62 3gft h SER 17 CO -0.01 0.74 0.61 0.00 -1.14 0.00 0.00 176.83 177.03 3gft h ALA 18 N 0.29 1.69 -0.14 3.77 0.00 -1.90 0.66 119.26 123.63 3gft h ALA 18 Ca -0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gft h ALA 18 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gft h ALA 18 CO 0.00 0.02 0.06 -0.07 0.00 0.00 0.00 179.25 179.26 3gft h LEU 19 N 0.81 0.19 -0.69 0.00 3.38 -1.16 -2.25 115.31 115.59 3gft h LEU 19 Ca 0.52 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 3gft h LEU 19 Cb 0.73 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3gft h LEU 19 CO -0.29 0.29 -0.08 0.74 0.09 0.00 0.00 178.44 179.19 3gft h THR 20 N 0.08 1.26 -0.08 0.22 2.02 -0.81 -2.51 112.91 113.09 3gft h THR 20 Ca 0.05 -1.19 -0.18 0.00 0.77 0.00 0.00 66.41 65.85 3gft h THR 20 Cb 0.15 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3gft h THR 20 CO -0.00 0.42 -0.72 0.40 0.37 0.00 0.00 175.52 175.98 3gft h ILE 21 N 0.84 1.38 0.13 3.11 1.08 -0.91 -2.42 117.51 120.72 3gft h ILE 21 Ca 0.14 -2.13 -0.01 0.00 -0.39 0.00 0.00 64.86 62.48 3gft h ILE 21 Cb 0.60 2.10 0.00 0.00 -3.07 0.00 0.00 36.82 36.46 3gft h ILE 21 CO 0.04 0.64 -0.06 -0.61 -0.69 0.00 0.00 178.15 177.47 3gft h GLN 22 N 0.28 -0.16 -0.32 2.37 5.75 -1.21 0.95 115.11 122.77 3gft h GLN 22 Ca -0.03 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 3gft h GLN 22 Cb 1.30 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 29.80 3gft h GLN 22 CO 0.12 -0.06 -0.32 1.25 -2.65 0.00 0.00 178.83 177.17 3gft h LEU 23 N -0.22 -1.06 -0.01 -2.39 5.85 -1.38 0.18 115.31 116.29 3gft h LEU 23 Ca -0.02 0.18 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 3gft h LEU 23 Cb 0.17 0.48 0.01 0.00 0.37 0.00 0.00 40.66 41.70 3gft h LEU 23 CO 0.03 -0.33 -0.58 0.40 -0.34 0.00 0.00 178.44 177.62 3gft h ILE 24 N -0.30 1.43 -0.00 4.05 1.08 -1.37 -3.39 117.51 119.01 3gft h ILE 24 Ca 0.15 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.57 3gft h ILE 24 Cb 0.54 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 3gft h ILE 24 CO -0.48 0.60 -0.05 0.00 -0.69 0.00 0.00 178.15 177.52 3gft n GLN 25 N -4.23 2.39 -2.45 2.37 6.02 0.32 -4.99 117.38 116.80 3gft n GLN 25 Ca -0.10 -0.37 -0.20 0.00 -0.01 0.00 0.00 57.00 56.31 3gft n GLN 25 Cb 0.66 -0.86 -0.01 0.00 1.02 0.00 0.00 30.24 31.05 3gft n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3gft n ASN 26 N -0.38 -5.82 -4.21 1.08 4.13 0.64 -4.96 115.26 105.74 3gft n ASN 26 Ca 0.01 -0.03 -0.32 0.00 1.68 0.00 0.00 54.58 55.93 3gft n ASN 26 Cb 0.06 -4.84 -0.17 0.00 -1.54 0.00 0.00 39.78 33.29 3gft n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3gft s HIS 27 N -3.03 2.52 -0.34 3.10 2.46 -1.24 -4.98 115.29 113.79 3gft s HIS 27 Ca 0.03 -1.06 -0.18 0.00 0.47 0.00 0.00 55.06 54.31 3gft s HIS 27 Cb -0.01 -1.69 -0.01 0.00 -0.13 0.00 0.00 32.58 30.74 3gft s HIS 27 CO 0.03 -0.44 0.53 0.12 -2.47 0.00 0.00 174.74 172.51 3gft s PHE 28 N 0.41 3.19 -0.28 3.88 5.36 -1.26 -2.92 117.98 126.35 3gft s PHE 28 Ca -0.17 0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 55.86 3gft s PHE 28 Cb -0.18 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 39.57 3gft s PHE 28 CO 0.08 -0.51 0.65 0.14 -1.46 0.00 0.00 175.22 174.12 3gft s VAL 29 N 2.42 4.94 -0.11 3.12 -7.23 -1.26 -4.95 120.40 117.33 3gft s VAL 29 Ca 0.20 1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 61.18 3gft s VAL 29 Cb -0.15 -3.99 -0.27 0.00 0.56 0.00 0.00 36.38 32.53 3gft s VAL 29 CO 0.13 -0.07 0.66 -0.78 -0.31 0.00 0.00 175.10 174.73 3gft h ASP 30 N 8.03 0.25 -3.90 4.85 3.58 -2.02 -3.47 116.42 123.75 3gft h ASP 30 Ca -0.26 -0.87 -0.49 0.00 0.42 0.00 0.00 57.03 55.83 3gft h ASP 30 Cb 1.12 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 42.10 3gft h ASP 30 CO 0.80 1.37 0.42 -1.61 -2.88 0.00 0.00 179.24 177.34 3gft s GLU 31 N -2.38 4.39 -0.64 0.28 8.01 -1.26 -4.99 118.70 122.11 3gft s GLU 31 Ca -0.19 1.58 -0.19 0.00 0.01 0.00 0.00 54.97 56.17 3gft s GLU 31 Cb 0.02 -2.80 0.10 0.00 -4.31 0.00 0.00 34.13 27.14 3gft s GLU 31 CO 0.74 0.04 0.78 -0.47 0.01 0.00 0.00 175.26 176.36 3gft s TYR 32 N -1.48 2.98 -0.45 1.61 5.04 -1.26 -5.01 117.35 118.78 3gft s TYR 32 Ca 0.52 -0.97 -0.13 0.00 -2.44 0.00 0.00 57.07 54.05 3gft s TYR 32 Cb -0.25 -4.07 0.08 0.00 0.35 0.00 0.00 41.96 38.07 3gft s TYR 32 CO 0.31 -1.36 0.34 -0.51 -1.34 0.00 0.00 175.55 173.00 3gft s ASP 33 N 3.58 5.95 0.33 4.32 1.11 -1.26 -5.08 116.67 125.63 3gft s ASP 33 Ca 0.15 -1.40 -0.29 0.00 0.18 0.00 0.00 52.55 51.18 3gft s ASP 33 Cb -0.21 -2.11 -0.11 0.00 1.07 0.00 0.00 42.92 41.56 3gft s ASP 33 CO 0.05 -0.61 1.52 -2.84 1.18 0.00 0.00 175.17 174.47 3gft s PRO 34 N 1.56 4.14 -0.12 8.23 0.02 -1.26 -4.98 135.00 142.57 3gft s PRO 34 Ca 0.04 2.54 -0.13 0.00 0.02 0.00 0.00 61.00 63.46 3gft s PRO 34 Cb -0.24 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.23 3gft s PRO 34 CO 0.05 -0.55 0.30 0.99 -0.33 0.00 0.00 177.00 177.46 3gft s THR 35 N -0.62 5.28 -0.12 0.99 2.01 -1.26 -4.98 115.64 116.93 3gft s THR 35 Ca 0.57 0.57 -0.06 0.00 0.31 0.00 0.00 61.69 63.08 3gft s THR 35 Cb -0.46 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 3gft s THR 35 CO 0.56 0.45 -0.02 0.40 -0.69 0.00 0.00 174.62 175.31 3gft h ILE 36 N 4.41 0.12 -0.67 1.82 2.04 -1.92 -3.34 117.51 119.97 3gft h ILE 36 Ca -0.45 -1.11 0.23 0.00 1.00 0.00 0.00 64.86 64.53 3gft h ILE 36 Cb 1.18 0.24 -0.30 0.00 -0.74 0.00 0.00 36.82 37.20 3gft h ILE 36 CO 0.71 0.04 0.63 -1.83 0.00 0.00 0.00 178.15 177.70 3gft s GLU 37 N -1.88 0.06 0.01 2.37 -1.05 -1.26 -3.86 118.70 113.09 3gft s GLU 37 Ca -0.08 0.12 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 3gft s GLU 37 Cb 0.01 0.04 -0.01 0.00 -0.44 0.00 0.00 34.13 33.73 3gft s GLU 37 CO 0.14 -0.02 -0.09 -0.51 0.95 0.00 0.00 175.26 175.73 3gft s ASP 38 N 1.52 1.07 -0.06 0.83 1.01 -1.11 -5.05 116.67 114.89 3gft s ASP 38 Ca -0.04 -0.27 0.05 0.00 0.71 0.00 0.00 52.55 53.00 3gft s ASP 38 Cb -0.02 -0.08 -0.02 0.00 1.01 0.00 0.00 42.92 43.81 3gft s ASP 38 CO -0.13 0.04 -0.21 -0.94 0.21 0.00 0.00 175.17 174.15 3gft s SER 39 N -0.58 3.46 0.14 0.27 1.04 -1.26 -1.20 113.70 115.57 3gft s SER 39 Ca 0.01 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.10 3gft s SER 39 Cb -0.05 -0.87 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 3gft s SER 39 CO 0.00 0.27 -0.14 -0.31 0.98 0.00 0.00 173.24 174.05 3gft s TYR 40 N -0.31 1.44 0.05 5.02 1.51 0.18 -4.97 117.35 120.27 3gft s TYR 40 Ca 0.02 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 3gft s TYR 40 Cb -0.13 -0.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 3gft s TYR 40 CO 0.02 0.17 -0.09 1.03 -1.11 0.00 0.00 175.55 175.57 3gft s ARG 41 N -2.90 0.60 -0.25 -0.62 0.52 -1.26 -0.16 118.95 114.88 3gft s ARG 41 Ca 0.12 -0.80 -0.18 0.00 -0.52 0.00 0.00 55.73 54.35 3gft s ARG 41 Cb -0.04 -0.43 0.07 0.00 0.52 0.00 0.00 34.95 35.08 3gft s ARG 41 CO 0.03 0.08 0.63 0.21 0.02 0.00 0.00 175.30 176.28 3gft s LYS 42 N -1.59 0.68 -0.12 3.54 2.20 -0.69 -5.00 119.74 118.76 3gft s LYS 42 Ca -0.08 1.03 -0.19 0.00 -0.36 0.00 0.00 55.97 56.37 3gft s LYS 42 Cb -0.10 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 3gft s LYS 42 CO 0.01 -0.13 0.54 -1.14 -0.36 0.00 0.00 175.35 174.27 3gft s GLN 43 N 1.08 4.34 0.05 4.03 0.74 -1.26 -0.62 119.66 128.02 3gft s GLN 43 Ca -0.06 0.55 -0.01 0.00 0.05 0.00 0.00 55.36 55.89 3gft s GLN 43 Cb -0.05 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 3gft s GLN 43 CO -0.11 0.08 -0.03 0.14 -0.55 0.00 0.00 175.29 174.83 3gft s VAL 44 N 0.85 0.21 -0.23 1.34 -7.23 -0.01 -4.98 120.40 110.34 3gft s VAL 44 Ca 0.28 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.70 3gft s VAL 44 Cb -0.16 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3gft s VAL 44 CO 0.12 -0.93 0.03 -0.69 -0.31 0.00 0.00 175.10 173.31 3gft s VAL 45 N -3.60 4.05 -0.15 1.32 1.01 -1.26 -0.17 120.40 121.59 3gft s VAL 45 Ca 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 3gft s VAL 45 Cb 0.06 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3gft s VAL 45 CO -0.09 0.38 -0.08 -0.63 0.00 0.00 0.00 175.10 174.69 3gft s ILE 46 N 1.37 1.21 -1.47 2.22 1.01 -0.53 -4.76 121.20 120.25 3gft s ILE 46 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 3gft s ILE 46 Cb -0.15 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.09 3gft s ILE 46 CO 0.02 0.25 0.88 0.47 0.00 0.00 0.00 174.94 176.56 3gft n ASP 47 N 4.86 -5.17 0.00 3.58 8.00 -1.26 -1.75 116.55 124.81 3gft n ASP 47 Ca -0.13 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3gft n ASP 47 Cb 0.49 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 3gft n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gft n GLY 48 N -1.64 2.32 3.62 0.44 0.00 -1.26 -4.99 105.19 103.68 3gft n GLY 48 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3gft n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gft s GLU 49 N -0.36 4.07 0.13 1.61 2.02 -0.72 -5.06 118.70 120.39 3gft s GLU 49 Ca 0.00 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 3gft s GLU 49 Cb 0.00 -3.62 -0.07 0.00 0.10 0.00 0.00 34.13 30.53 3gft s GLU 49 CO 0.00 -0.23 1.26 -0.08 0.02 0.00 0.00 175.26 176.23 3gft s THR 50 N 1.93 3.58 0.05 3.63 -1.32 -1.26 -1.45 115.64 120.79 3gft s THR 50 Ca 0.17 1.21 -0.07 0.00 -1.21 0.00 0.00 61.69 61.79 3gft s THR 50 Cb -0.15 -3.77 -0.01 0.00 -1.51 0.00 0.00 72.50 67.06 3gft s THR 50 CO 0.09 0.14 0.15 0.00 -2.21 0.00 0.00 174.62 172.79 3gft s LEU 52 N -2.36 4.26 -0.29 0.00 2.96 0.13 -0.83 118.68 122.54 3gft s LEU 52 Ca -0.02 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 3gft s LEU 52 Cb 0.01 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3gft s LEU 52 CO -0.06 -0.21 0.55 -0.76 -1.32 0.00 0.00 176.35 174.55 3gft s LEU 53 N 1.65 4.13 -0.35 -0.68 1.43 0.21 -0.65 118.68 124.43 3gft s LEU 53 Ca 0.05 0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.39 3gft s LEU 53 Cb -0.17 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 3gft s LEU 53 CO 0.08 -0.38 0.33 -1.81 0.23 0.00 0.00 176.35 174.80 3gft s ASP 54 N 1.62 6.14 -0.29 2.29 1.01 0.47 -1.70 116.67 126.21 3gft s ASP 54 Ca 0.22 -0.34 -0.05 0.00 0.71 0.00 0.00 52.55 53.08 3gft s ASP 54 Cb -0.15 -2.18 0.02 0.00 1.01 0.00 0.00 42.92 41.62 3gft s ASP 54 CO 0.11 -0.33 0.04 -0.63 0.21 0.00 0.00 175.17 174.57 3gft s ILE 55 N 1.93 3.59 -0.41 0.77 1.01 0.78 0.79 121.20 129.65 3gft s ILE 55 Ca 0.10 -0.89 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 3gft s ILE 55 Cb -0.17 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.43 3gft s ILE 55 CO 0.11 0.06 0.41 -0.22 0.00 0.00 0.00 174.94 175.30 3gft s LEU 56 N 1.42 4.83 -0.21 2.97 2.96 0.13 -0.64 118.68 130.14 3gft s LEU 56 Ca 0.01 -0.64 -0.23 0.00 -0.22 0.00 0.00 54.13 53.05 3gft s LEU 56 Cb -0.18 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 3gft s LEU 56 CO 0.00 -0.53 0.72 -0.62 -1.32 0.00 0.00 176.35 174.60 3gft s ASP 57 N 1.78 6.76 0.38 3.68 2.15 -0.34 -1.37 116.67 129.71 3gft s ASP 57 Ca 0.11 0.93 0.07 0.00 0.43 0.00 0.00 52.55 54.10 3gft s ASP 57 Cb -0.17 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3gft s ASP 57 CO 0.13 -0.37 0.48 0.42 -0.17 0.00 0.00 175.17 175.65 3gft s THR 58 N 2.28 3.42 0.10 1.71 -4.23 -1.18 -2.76 115.64 114.98 3gft s THR 58 Ca 0.32 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 3gft s THR 58 Cb -0.16 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.45 3gft s THR 58 CO 0.10 -0.08 1.09 0.00 -0.54 0.00 0.00 174.62 175.19 3gft s ALA 59 N -2.30 3.32 0.00 3.99 0.00 -1.25 -4.82 121.76 120.70 3gft s ALA 59 Ca 0.49 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.19 3gft s ALA 59 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3gft s ALA 59 CO 0.31 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.22 3gft n GLY 60 N 2.61 0.00 2.01 0.00 0.00 -1.26 -4.89 105.19 103.66 3gft n GLY 60 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3gft n GLY 60 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gft n ARG 68 N 0.09 0.00 0.06 1.61 3.00 -1.26 -4.12 116.66 116.04 3gft n ARG 68 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3gft n ARG 68 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 3gft n ARG 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3gft n ASP 69 N -3.29 0.62 0.04 6.15 9.92 -1.26 -4.00 116.55 124.72 3gft n ASP 69 Ca 0.00 0.11 -0.13 0.00 -0.53 0.00 0.00 54.79 54.24 3gft n ASP 69 Cb 0.00 0.80 -0.09 0.00 -0.64 0.00 0.00 41.12 41.19 3gft n ASP 69 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 3gft h GLN 70 N 0.00 -0.11 0.00 -1.24 7.50 -2.03 -3.10 115.11 116.12 3gft h GLN 70 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3gft h GLN 70 Cb 0.91 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.46 3gft h GLN 70 CO 0.00 0.28 0.00 0.10 -1.50 0.00 0.00 178.83 177.71 3gft h TYR 71 N -0.54 0.00 0.00 2.96 -0.00 -2.00 -3.01 116.97 114.38 3gft h TYR 71 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.65 3gft h TYR 71 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.17 3gft h TYR 71 CO 0.06 0.00 -0.32 1.98 -0.00 0.00 0.00 178.16 179.88 3gft h MET 72 N 0.00 0.00 0.00 0.10 4.05 -1.68 -2.38 114.93 115.02 3gft h MET 72 Ca 0.00 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.30 3gft h MET 72 Cb 0.73 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 3gft h MET 72 CO 0.00 0.32 -1.60 0.54 0.23 0.00 0.00 176.91 176.40 3gft n ARG 73 N -3.22 0.64 0.09 0.39 3.00 -1.15 -4.05 116.66 112.36 3gft n ARG 73 Ca 0.02 0.07 0.11 0.00 -0.01 0.00 0.00 57.85 58.04 3gft n ARG 73 Cb 0.62 -1.70 -0.02 0.00 0.00 0.00 0.00 32.46 31.36 3gft n ARG 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3gft n THR 74 N -2.67 0.61 -2.58 0.55 -2.24 -1.18 -4.91 114.28 101.87 3gft n THR 74 Ca -0.09 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 3gft n THR 74 Cb 0.76 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3gft n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gft s GLY 75 N -4.40 2.86 -0.09 3.38 0.00 -0.90 -4.85 107.32 103.32 3gft s GLY 75 Ca -0.01 0.74 0.15 0.00 0.00 0.00 0.00 44.72 45.59 3gft s GLY 75 CO 0.80 1.62 0.47 1.18 0.00 0.00 0.00 173.10 177.17 3gft n GLU 76 N 2.64 0.65 -3.92 2.90 1.02 -0.24 -4.96 120.64 118.74 3gft n GLU 76 Ca 0.03 0.19 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3gft n GLU 76 Cb 0.47 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 3gft n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gft s GLY 77 N -5.23 0.14 -0.04 0.62 0.00 -1.11 -3.99 107.32 97.70 3gft s GLY 77 Ca -0.06 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.29 3gft s GLY 77 CO 0.83 -0.52 -0.12 -1.36 0.00 0.00 0.00 173.10 171.94 3gft s PHE 78 N -1.86 1.27 -0.25 1.90 0.08 0.43 -1.46 117.98 118.09 3gft s PHE 78 Ca -0.11 -0.38 -0.12 0.00 0.12 0.00 0.00 56.93 56.44 3gft s PHE 78 Cb -0.06 -0.91 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 3gft s PHE 78 CO -0.01 -0.17 0.22 -0.51 -0.10 0.00 0.00 175.22 174.64 3gft s LEU 79 N 0.35 4.09 -0.43 -0.37 1.43 0.01 -1.19 118.68 122.58 3gft s LEU 79 Ca -0.07 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.11 3gft s LEU 79 Cb -0.12 -2.19 0.10 0.00 0.03 0.00 0.00 46.19 44.01 3gft s LEU 79 CO 0.02 -0.00 0.26 0.00 0.23 0.00 0.00 176.35 176.86 3gft s VAL 81 N 1.33 4.19 0.42 0.00 1.01 0.14 -0.83 120.40 126.66 3gft s VAL 81 Ca 0.05 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3gft s VAL 81 Cb -0.24 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 3gft s VAL 81 CO -0.01 0.47 0.03 0.72 0.00 0.00 0.00 175.10 176.31 3gft s PHE 82 N 0.52 2.15 -0.12 5.22 -0.12 -0.45 -4.08 117.98 121.10 3gft s PHE 82 Ca -0.01 -0.87 -0.00 0.00 -0.05 0.00 0.00 56.93 56.00 3gft s PHE 82 Cb -0.14 -1.57 -0.02 0.00 -0.63 0.00 0.00 43.02 40.66 3gft s PHE 82 CO 0.02 0.22 -0.11 0.00 -0.05 0.00 0.00 175.22 175.30 3gft s ALA 83 N -2.93 2.74 -1.36 1.99 0.00 -1.26 -0.53 121.76 120.42 3gft s ALA 83 Ca 0.26 -0.89 0.19 0.00 0.00 0.00 0.00 51.96 51.52 3gft s ALA 83 Cb 0.07 -1.25 0.92 0.00 0.00 0.00 0.00 23.12 22.86 3gft s ALA 83 CO 0.13 0.32 1.58 0.44 0.00 0.00 0.00 175.76 178.23 3gft n ILE 84 N 3.20 0.48 -0.94 0.00 -5.35 -0.12 -1.59 119.36 115.04 3gft n ILE 84 Ca -0.18 0.12 0.09 0.00 -0.27 0.00 0.00 62.75 62.51 3gft n ILE 84 Cb 0.53 -0.81 0.15 0.00 -1.74 0.00 0.00 39.64 37.77 3gft n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gft n ASN 85 N -1.32 2.63 -3.55 7.28 6.94 -1.26 -1.10 115.26 124.87 3gft n ASN 85 Ca 0.08 -2.95 -0.29 0.00 -0.02 0.00 0.00 54.58 51.40 3gft n ASN 85 Cb 0.16 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 37.03 3gft n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3gft s ASN 86 N -2.48 3.49 0.36 0.53 3.84 -0.62 -4.78 114.94 115.27 3gft s ASN 86 Ca 0.31 -1.57 0.03 0.00 0.21 0.00 0.00 52.86 51.84 3gft s ASN 86 Cb 0.26 -0.45 0.67 0.00 -0.55 0.00 0.00 41.25 41.19 3gft s ASN 86 CO 0.04 -0.40 2.01 0.74 -2.79 0.00 0.00 177.10 176.70 3gft h THR 87 N 6.08 1.14 -0.37 -5.21 2.02 -1.88 -2.34 112.91 112.35 3gft h THR 87 Ca -0.13 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 3gft h THR 87 Cb 1.00 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3gft h THR 87 CO 0.41 0.15 -0.22 0.50 0.37 0.00 0.00 175.52 176.73 3gft h LYS 88 N 0.81 0.71 0.00 6.66 3.64 -1.94 -1.55 116.57 124.90 3gft h LYS 88 Ca 0.23 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3gft h LYS 88 Cb -0.05 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3gft h LYS 88 CO -0.06 0.87 -0.12 0.66 -2.27 0.00 0.00 179.45 178.54 3gft h SER 89 N 0.63 0.00 0.22 4.20 4.64 -1.75 -0.91 113.55 120.57 3gft h SER 89 Ca 0.09 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.06 3gft h SER 89 Cb 0.70 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.82 3gft h SER 89 CO 0.05 0.12 -1.63 0.15 -0.87 0.00 0.00 176.83 174.65 3gft h PHE 90 N 0.00 0.84 0.00 4.77 3.57 -1.40 -3.24 116.94 121.49 3gft h PHE 90 Ca -0.00 -0.61 -0.02 0.00 3.53 0.00 0.00 57.97 60.87 3gft h PHE 90 Cb 0.62 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 3gft h PHE 90 CO 0.00 1.63 -0.08 0.93 -2.23 0.00 0.00 178.31 178.56 3gft h GLU 91 N 0.12 0.00 0.00 1.11 5.08 -0.85 -2.25 114.58 117.79 3gft h GLU 91 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3gft h GLU 91 Cb 2.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 3gft h GLU 91 CO 0.22 0.08 0.00 -0.25 -1.00 0.00 0.00 179.01 178.06 3gft n ASP 92 N -3.71 0.53 -0.03 1.42 8.00 -0.39 -4.04 116.55 118.34 3gft n ASP 92 Ca -0.02 0.57 -0.03 0.00 0.71 0.00 0.00 54.79 56.02 3gft n ASP 92 Cb 0.19 -0.71 0.21 0.00 -0.02 0.00 0.00 41.12 40.79 3gft n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3gft h ILE 93 N 0.00 1.24 -0.25 0.53 1.08 -1.49 -1.63 117.51 116.99 3gft h ILE 93 Ca 0.00 -1.09 -0.05 0.00 -0.39 0.00 0.00 64.86 63.34 3gft h ILE 93 Cb 0.57 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 3gft h ILE 93 CO 0.00 0.36 -0.05 1.12 -0.69 0.00 0.00 178.15 178.89 3gft h HIS 94 N 0.54 0.41 -0.56 1.37 2.07 -1.79 -1.52 115.15 115.66 3gft h HIS 94 Ca 0.10 -0.04 0.01 0.00 -2.85 0.00 0.00 60.37 57.59 3gft h HIS 94 Cb 0.54 -0.12 -0.03 0.00 2.57 0.00 0.00 27.41 30.37 3gft h HIS 94 CO 0.02 0.45 0.36 0.45 -3.07 0.00 0.00 177.93 176.14 3gft h HIS 95 N 0.38 0.69 -0.23 6.12 3.86 -1.54 -1.16 115.15 123.26 3gft h HIS 95 Ca 0.08 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.13 3gft h HIS 95 Cb 0.33 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3gft h HIS 95 CO 0.01 0.42 -0.55 1.88 0.86 0.00 0.00 177.93 180.55 3gft h TYR 96 N 0.74 0.99 -0.24 2.45 0.05 -1.33 -1.67 116.97 117.96 3gft h TYR 96 Ca 0.21 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 3gft h TYR 96 Cb -0.06 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3gft h TYR 96 CO -0.04 1.19 0.07 -0.09 -1.05 0.00 0.00 178.16 178.23 3gft h ARG 97 N 0.52 0.38 -0.84 4.88 2.43 -1.17 -0.71 114.38 119.87 3gft h ARG 97 Ca -0.00 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3gft h ARG 97 Cb 1.16 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.61 3gft h ARG 97 CO 0.12 0.48 0.52 0.93 -1.51 0.00 0.00 179.97 180.51 3gft h GLU 98 N 0.22 0.95 -0.52 0.20 5.08 -1.21 -0.32 114.58 118.99 3gft h GLU 98 Ca 0.08 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3gft h GLU 98 Cb 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3gft h GLU 98 CO -0.00 0.63 0.17 0.37 -1.00 0.00 0.00 179.01 179.18 3gft h GLN 99 N 0.98 0.80 -0.05 2.33 4.15 -0.90 -1.04 115.11 121.38 3gft h GLN 99 Ca 0.35 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3gft h GLN 99 Cb 0.11 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3gft h GLN 99 CO -0.15 0.73 -0.05 0.82 -1.93 0.00 0.00 178.83 178.25 3gft h ILE 100 N 0.71 1.38 -0.53 2.39 2.04 -0.74 -2.67 117.51 120.09 3gft h ILE 100 Ca 0.17 -1.22 0.08 0.00 1.00 0.00 0.00 64.86 64.88 3gft h ILE 100 Cb 0.26 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 3gft h ILE 100 CO -0.01 0.33 0.35 0.11 0.00 0.00 0.00 178.15 178.94 3gft h LYS 101 N -0.34 0.37 0.09 2.37 1.57 -1.03 -0.06 116.57 119.54 3gft h LYS 101 Ca 0.01 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gft h LYS 101 Cb 0.56 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3gft h LYS 101 CO 0.01 0.24 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.00 3gft h ARG 102 N 0.38 -0.12 -0.16 3.15 2.43 -1.05 -2.10 114.38 116.91 3gft h ARG 102 Ca 0.24 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.21 3gft h ARG 102 Cb 0.44 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3gft h ARG 102 CO -0.06 0.30 -0.69 -0.39 -1.51 0.00 0.00 179.97 177.62 3gft h VAL 103 N -0.58 1.29 0.00 0.20 -1.51 -1.22 -2.83 116.25 111.61 3gft h VAL 103 Ca -0.01 -1.90 0.00 0.00 -1.23 0.00 0.00 66.70 63.55 3gft h VAL 103 Cb 0.47 1.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3gft h VAL 103 CO 0.02 0.60 0.00 0.11 -1.23 0.00 0.00 177.57 177.07 3gft h LYS 104 N 0.47 0.00 -6.14 5.19 1.79 -1.13 -3.47 116.57 113.29 3gft h LYS 104 Ca -0.04 0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 58.01 3gft h LYS 104 Cb 1.32 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 32.03 3gft h LYS 104 CO 0.14 0.00 -0.88 -3.47 -1.08 0.00 0.00 179.45 174.16 3gft n ASP 105 N -2.93 -2.96 -3.67 0.86 -0.08 -0.85 -4.99 116.55 101.93 3gft n ASP 105 Ca 0.02 -0.91 -0.14 0.00 -1.51 0.00 0.00 54.79 52.25 3gft n ASP 105 Cb 0.33 -3.78 -0.07 0.00 2.34 0.00 0.00 41.12 39.94 3gft n ASP 105 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3gft s SER 106 N -3.97 -0.33 0.05 1.67 0.15 -0.85 -5.02 113.70 105.41 3gft s SER 106 Ca 0.21 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.29 3gft s SER 106 Cb -0.06 0.40 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 3gft s SER 106 CO 0.83 -0.56 1.03 -1.84 1.20 0.00 0.00 173.24 173.90 3gft n GLU 107 N 0.92 0.29 -3.91 5.44 0.00 -1.26 -4.52 120.64 117.60 3gft n GLU 107 Ca -0.20 -0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.66 3gft n GLU 107 Cb 0.58 -1.60 -0.14 0.00 0.00 0.00 0.00 31.44 30.28 3gft n GLU 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3gft s ASP 108 N -3.94 4.22 -0.08 -1.84 2.15 -1.26 -5.07 116.67 110.84 3gft s ASP 108 Ca 0.04 -2.91 0.04 0.00 0.43 0.00 0.00 52.55 50.15 3gft s ASP 108 Cb 0.14 -1.54 -0.00 0.00 -0.30 0.00 0.00 42.92 41.23 3gft s ASP 108 CO 0.80 -0.24 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.64 3gft s VAL 109 N -0.13 1.94 0.01 1.11 1.01 -1.26 -5.09 120.40 117.98 3gft s VAL 109 Ca 0.17 -0.96 -0.33 0.00 0.00 0.00 0.00 61.98 60.85 3gft s VAL 109 Cb -0.25 -1.67 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 3gft s VAL 109 CO -0.00 0.54 1.84 -2.65 0.00 0.00 0.00 175.10 174.82 3gft n PRO 110 N 3.40 2.38 -3.73 2.72 -0.02 -1.26 -4.95 135.00 133.56 3gft n PRO 110 Ca -0.19 0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3gft n PRO 110 Cb 0.53 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.19 3gft n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gft s MET 111 N 3.40 0.58 -0.04 -0.52 -1.94 -1.26 -0.43 119.30 119.09 3gft s MET 111 Ca 0.88 0.32 0.03 0.00 -1.71 0.00 0.00 55.69 55.21 3gft s MET 111 Cb -0.62 0.27 0.00 0.00 2.01 0.00 0.00 34.83 36.50 3gft s MET 111 CO 0.46 -0.11 -0.13 0.08 -0.01 0.00 0.00 175.02 175.30 3gft s VAL 112 N -0.35 1.10 -0.19 -6.03 1.01 -0.33 -4.14 120.40 111.47 3gft s VAL 112 Ca -0.05 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 3gft s VAL 112 Cb -0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3gft s VAL 112 CO 0.02 0.33 0.76 -0.22 0.00 0.00 0.00 175.10 175.99 3gft s LEU 113 N 0.30 4.14 -0.20 3.92 2.96 -0.15 -1.13 118.68 128.52 3gft s LEU 113 Ca -0.07 1.02 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 3gft s LEU 113 Cb -0.12 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.49 3gft s LEU 113 CO 0.02 -0.37 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.84 3gft s VAL 114 N 2.19 2.50 -0.70 1.68 1.01 -0.01 -0.93 120.40 126.14 3gft s VAL 114 Ca 0.34 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3gft s VAL 114 Cb -0.16 -2.11 0.18 0.00 0.00 0.00 0.00 36.38 34.28 3gft s VAL 114 CO 0.11 0.46 0.67 -0.83 0.00 0.00 0.00 175.10 175.51 3gft s GLY 115 N 1.34 2.37 0.46 4.51 0.00 0.16 -1.34 107.32 114.82 3gft s GLY 115 Ca 0.04 -2.94 -0.05 0.00 0.00 0.00 0.00 44.72 41.77 3gft s GLY 115 CO -0.09 1.27 0.77 0.21 0.00 0.00 0.00 173.10 175.25 3gft s ASN 116 N 2.85 6.29 -0.53 1.64 2.47 0.31 -0.58 114.94 127.40 3gft s ASN 116 Ca 0.12 0.92 -0.03 0.00 0.42 0.00 0.00 52.86 54.28 3gft s ASN 116 Cb -0.19 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.38 3gft s ASN 116 CO -0.03 -0.54 0.46 0.29 -3.72 0.00 0.00 177.10 173.56 3gft n LYS 117 N -2.10 -3.12 0.00 0.43 5.02 -0.27 -0.95 118.16 117.17 3gft n LYS 117 Ca 0.00 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3gft n LYS 117 Cb 0.55 -3.84 0.67 0.00 -0.02 0.00 0.00 35.03 32.39 3gft n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gft n ASP 119 N -1.22 0.55 -4.81 0.00 5.75 -1.26 -4.88 116.55 110.67 3gft n ASP 119 Ca 0.14 0.18 -0.39 0.00 -0.01 0.00 0.00 54.79 54.71 3gft n ASP 119 Cb 0.18 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 40.10 3gft n ASP 119 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gft s LEU 120 N -3.76 4.53 0.00 -2.12 1.43 -0.59 -4.97 118.68 113.20 3gft s LEU 120 Ca 0.10 1.27 0.30 0.00 -1.03 0.00 0.00 54.13 54.77 3gft s LEU 120 Cb 0.15 -2.92 1.43 0.00 0.03 0.00 0.00 46.19 44.88 3gft s LEU 120 CO 0.66 0.27 1.96 -0.81 0.23 0.00 0.00 176.35 178.66 3gft n PRO 121 N 1.69 1.25 -1.48 1.29 -0.05 -1.26 -4.35 135.00 132.10 3gft n PRO 121 Ca -0.10 -0.46 -0.31 0.00 -0.05 0.00 0.00 63.50 62.58 3gft n PRO 121 Cb 0.51 -1.49 0.02 0.00 -0.05 0.00 0.00 33.50 32.49 3gft n PRO 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3gft n SER 122 N -0.47 7.08 -4.70 3.54 3.41 -1.26 -5.01 113.62 116.22 3gft n SER 122 Ca 0.20 -3.51 -0.42 0.00 -0.26 0.00 0.00 58.87 54.88 3gft n SER 122 Cb 0.24 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 3gft n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3gft s ARG 123 N -2.94 4.27 -0.00 4.33 3.52 -1.26 -4.42 118.95 122.45 3gft s ARG 123 Ca 0.53 2.09 0.03 0.00 -0.13 0.00 0.00 55.73 58.25 3gft s ARG 123 Cb 0.41 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 30.28 3gft s ARG 123 CO -0.19 -0.57 0.12 0.25 -0.81 0.00 0.00 175.30 174.09 3gft n THR 124 N 4.45 0.00 -3.96 4.11 -2.24 -0.26 -4.96 114.28 111.42 3gft n THR 124 Ca 0.13 -0.35 -0.34 0.00 -2.27 0.00 0.00 64.05 61.22 3gft n THR 124 Cb 0.42 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 69.38 3gft n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gft s VAL 125 N -1.51 2.86 0.35 2.28 1.01 -0.92 -4.88 120.40 119.60 3gft s VAL 125 Ca 0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 3gft s VAL 125 Cb 0.02 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.87 3gft s VAL 125 CO 0.13 0.22 1.23 -0.62 0.00 0.00 0.00 175.10 176.06 3gft s ASP 126 N 1.33 6.73 0.43 3.32 -1.08 -1.26 -4.90 116.67 121.24 3gft s ASP 126 Ca 0.01 2.51 0.11 0.00 -0.52 0.00 0.00 52.55 54.66 3gft s ASP 126 Cb -0.16 -2.63 0.99 0.00 -1.46 0.00 0.00 42.92 39.65 3gft s ASP 126 CO -0.05 -0.54 2.03 0.71 0.52 0.00 0.00 175.17 177.84 3gft h THR 127 N 2.76 0.99 -0.58 1.71 1.35 -1.99 -2.32 112.91 114.83 3gft h THR 127 Ca -0.49 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3gft h THR 127 Cb 1.23 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3gft h THR 127 CO 0.64 0.08 0.31 0.11 -0.25 0.00 0.00 175.52 176.41 3gft h LYS 128 N 0.42 0.82 -0.47 4.72 1.57 -1.98 0.41 116.57 122.06 3gft h LYS 128 Ca 0.20 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3gft h LYS 128 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3gft h LYS 128 CO -0.05 0.64 0.31 1.96 -0.57 0.00 0.00 179.45 181.74 3gft h GLN 129 N 0.79 0.61 -0.33 3.15 4.20 -1.81 -1.01 115.11 120.71 3gft h GLN 129 Ca 0.20 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.71 3gft h GLN 129 Cb 0.07 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3gft h GLN 129 CO -0.03 0.40 -0.45 0.00 -0.67 0.00 0.00 178.83 178.09 3gft h ALA 130 N 1.18 0.58 -0.68 3.87 0.00 -1.16 -1.56 119.26 121.49 3gft h ALA 130 Ca 0.17 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3gft h ALA 130 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3gft h ALA 130 CO -0.04 0.68 0.18 1.96 0.00 0.00 0.00 179.25 182.02 3gft h GLN 131 N 0.69 1.09 -0.35 0.00 1.08 -0.01 -1.31 115.11 116.30 3gft h GLN 131 Ca 0.04 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.92 3gft h GLN 131 Cb 1.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 28.31 3gft h GLN 131 CO 0.10 0.96 -0.03 -0.44 -0.95 0.00 0.00 178.83 178.47 3gft h ASP 132 N 1.02 0.63 -0.78 1.46 3.32 -0.94 -0.40 116.42 120.73 3gft h ASP 132 Ca 0.22 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 3gft h ASP 132 Cb 0.36 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3gft h ASP 132 CO 0.00 0.82 0.40 0.25 -1.72 0.00 0.00 179.24 178.99 3gft h LEU 133 N 0.44 1.01 -0.25 1.55 5.85 -1.17 -1.75 115.31 120.99 3gft h LEU 133 Ca 0.09 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3gft h LEU 133 Cb 0.51 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3gft h LEU 133 CO 0.02 0.84 -0.17 0.00 -0.34 0.00 0.00 178.44 178.79 3gft h ALA 134 N 1.32 0.36 -0.16 1.25 0.00 -0.77 -2.60 119.26 118.66 3gft h ALA 134 Ca 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gft h ALA 134 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gft h ALA 134 CO -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 179.25 179.44 3gft h ARG 135 N 0.28 0.23 0.00 0.00 3.08 -0.84 -0.72 114.38 116.42 3gft h ARG 135 Ca 0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gft h ARG 135 Cb 0.70 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3gft h ARG 135 CO 0.05 0.30 0.00 0.66 -1.07 0.00 0.00 179.97 179.90 3gft h SER 136 N 0.23 0.00 0.12 7.04 4.64 -1.07 -2.40 113.55 122.12 3gft h SER 136 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3gft h SER 136 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3gft h SER 136 CO 0.01 0.00 -1.33 -1.22 -0.87 0.00 0.00 176.83 173.42 3gft n TYR 137 N -3.06 0.08 -2.08 4.77 4.01 -0.61 -4.97 117.16 115.30 3gft n TYR 137 Ca 0.02 0.02 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 3gft n TYR 137 Cb 0.41 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3gft n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gft n GLY 138 N 1.38 0.10 3.56 2.72 0.00 -0.38 -5.05 105.19 107.53 3gft n GLY 138 Ca 0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3gft n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gft s ILE 139 N -2.45 2.74 0.62 -0.61 -4.36 -0.73 -5.02 121.20 111.40 3gft s ILE 139 Ca 0.00 -2.16 -0.16 0.00 -0.26 0.00 0.00 60.65 58.06 3gft s ILE 139 Cb 0.00 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 3gft s ILE 139 CO 0.00 -0.33 1.11 -2.84 0.24 0.00 0.00 174.94 173.12 3gft s PRO 140 N -3.61 2.99 -0.06 0.37 0.02 -1.26 -4.28 135.00 129.17 3gft s PRO 140 Ca 0.32 1.43 0.04 0.00 0.02 0.00 0.00 61.00 62.81 3gft s PRO 140 Cb -0.04 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 32.51 3gft s PRO 140 CO 0.17 -1.10 -0.20 0.12 -0.33 0.00 0.00 177.00 175.66 3gft s PHE 141 N -2.20 2.06 -0.01 6.54 5.36 -1.26 -0.98 117.98 127.49 3gft s PHE 141 Ca 0.68 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 3gft s PHE 141 Cb -0.21 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 3gft s PHE 141 CO 0.37 -0.26 0.02 -1.50 -1.46 0.00 0.00 175.22 172.39 3gft s ILE 142 N 0.16 -0.03 0.01 3.12 2.07 -0.11 -4.99 121.20 121.43 3gft s ILE 142 Ca -0.09 0.13 -0.19 0.00 -1.41 0.00 0.00 60.65 59.09 3gft s ILE 142 Cb -0.14 -0.06 -0.06 0.00 0.13 0.00 0.00 42.46 42.33 3gft s ILE 142 CO 0.04 0.05 0.55 -1.61 -1.91 0.00 0.00 174.94 172.06 3gft s GLU 143 N 0.64 4.22 0.10 3.50 2.02 -1.26 -0.66 118.70 127.26 3gft s GLU 143 Ca -0.05 0.66 0.02 0.00 0.02 0.00 0.00 54.97 55.62 3gft s GLU 143 Cb -0.08 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3gft s GLU 143 CO -0.02 0.49 -0.07 0.95 0.02 0.00 0.00 175.26 176.63 3gft s THR 144 N -0.55 0.73 -0.09 3.63 -4.23 0.25 -4.17 115.64 111.22 3gft s THR 144 Ca 0.29 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 58.87 3gft s THR 144 Cb -0.18 -1.64 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3gft s THR 144 CO 0.16 -0.83 0.09 -0.55 -0.54 0.00 0.00 174.62 172.95 3gft s SER 145 N -2.97 1.39 0.00 3.99 0.15 -0.15 -1.12 113.70 114.99 3gft s SER 145 Ca 0.11 -0.07 0.13 0.00 0.70 0.00 0.00 55.95 56.82 3gft s SER 145 Cb 0.04 -0.08 0.62 0.00 -1.71 0.00 0.00 66.02 64.88 3gft s SER 145 CO -0.04 -0.28 1.35 0.00 1.20 0.00 0.00 173.24 175.48 3gft n ALA 146 N 5.30 1.70 -0.12 5.45 0.00 -1.26 -1.57 120.51 130.00 3gft n ALA 146 Ca -0.04 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 3gft n ALA 146 Cb 0.50 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.66 3gft n ALA 146 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gft n LYS 147 N -1.35 0.57 0.02 0.00 4.81 -1.26 -4.47 118.16 116.48 3gft n LYS 147 Ca 0.05 0.29 0.13 0.00 -0.87 0.00 0.00 58.31 57.91 3gft n LYS 147 Cb 0.12 -1.51 0.34 0.00 0.02 0.00 0.00 35.03 34.00 3gft n LYS 147 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3gft n THR 148 N -4.33 0.13 -0.92 3.15 -2.24 -1.23 -4.94 114.28 103.90 3gft n THR 148 Ca -0.42 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3gft n THR 148 Cb 0.76 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 3gft n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gft n ARG 149 N -1.70 -0.06 -1.69 -0.78 1.74 -0.61 -5.00 116.66 108.56 3gft n ARG 149 Ca 0.05 0.01 -0.45 0.00 -0.77 0.00 0.00 57.85 56.70 3gft n ARG 149 Cb 0.37 -2.94 -0.04 0.00 -1.02 0.00 0.00 32.46 28.83 3gft n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3gft n GLN 150 N -2.04 2.44 -0.79 5.56 7.27 -1.17 -2.58 117.38 126.06 3gft n GLN 150 Ca 0.00 0.88 0.00 0.00 0.07 0.00 0.00 57.00 57.95 3gft n GLN 150 Cb 0.01 -2.71 0.00 0.00 2.41 0.00 0.00 30.24 29.96 3gft n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gft n GLY 151 N 3.85 0.51 0.22 1.69 0.00 -1.26 -0.98 105.19 109.23 3gft n GLY 151 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3gft n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gft h VAL 152 N 0.00 0.59 -1.00 1.61 2.07 -1.80 0.24 116.25 117.96 3gft h VAL 152 Ca 0.00 -0.56 0.02 0.00 0.82 0.00 0.00 66.70 66.98 3gft h VAL 152 Cb 0.05 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3gft h VAL 152 CO 0.00 0.10 0.66 0.44 0.02 0.00 0.00 177.57 178.79 3gft h ASP 153 N -0.83 1.13 -0.60 0.57 3.32 -1.90 -2.82 116.42 115.29 3gft h ASP 153 Ca -0.05 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3gft h ASP 153 Cb 0.53 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3gft h ASP 153 CO 0.08 0.80 -0.00 -0.78 -1.72 0.00 0.00 179.24 177.62 3gft h ASP 154 N 1.32 1.05 0.27 6.45 3.58 -1.88 0.26 116.42 127.47 3gft h ASP 154 Ca 0.38 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 3gft h ASP 154 Cb -0.11 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.66 3gft h ASP 154 CO -0.09 1.10 -0.13 0.00 -2.88 0.00 0.00 179.24 177.23 3gft h ALA 155 N 0.98 -0.36 -0.39 -0.78 0.00 -0.32 0.86 119.26 119.25 3gft h ALA 155 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gft h ALA 155 Cb 0.57 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3gft h ALA 155 CO 0.03 -0.71 0.07 0.74 0.00 0.00 0.00 179.25 179.39 3gft h PHE 156 N -0.37 0.67 -0.09 0.00 0.04 -1.23 -2.58 116.94 113.39 3gft h PHE 156 Ca -0.04 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.55 3gft h PHE 156 Cb 0.28 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.24 3gft h PHE 156 CO -0.06 0.67 -0.38 1.88 -0.60 0.00 0.00 178.31 179.82 3gft h TYR 157 N 0.48 0.21 -0.29 -0.55 -1.99 -0.40 -2.50 116.97 111.93 3gft h TYR 157 Ca 0.12 -0.05 -0.17 0.00 2.00 0.00 0.00 58.73 60.63 3gft h TYR 157 Cb 0.35 -0.05 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 3gft h TYR 157 CO 0.02 0.54 -0.50 1.15 -0.00 0.00 0.00 178.16 179.38 3gft h THR 158 N 0.15 1.28 -0.64 -2.88 2.02 -0.71 -1.96 112.91 110.18 3gft h THR 158 Ca 0.02 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.51 3gft h THR 158 Cb 0.75 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3gft h THR 158 CO 0.06 0.55 0.42 0.25 0.37 0.00 0.00 175.52 177.17 3gft h LEU 159 N 0.64 0.74 -1.02 2.58 5.85 -1.16 -0.14 115.31 122.80 3gft h LEU 159 Ca 0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3gft h LEU 159 Cb 1.09 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3gft h LEU 159 CO 0.11 0.54 0.64 0.58 -0.34 0.00 0.00 178.44 179.97 3gft h VAL 160 N 0.87 1.25 -0.14 1.05 2.07 -1.17 -0.37 116.25 119.82 3gft h VAL 160 Ca 0.23 -0.48 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3gft h VAL 160 Cb -0.09 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.49 3gft h VAL 160 CO -0.05 0.25 -0.53 0.03 0.02 0.00 0.00 177.57 177.29 3gft h ARG 161 N 1.33 0.38 -0.81 1.57 3.08 -0.78 -1.50 114.38 117.65 3gft h ARG 161 Ca 0.36 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 3gft h ARG 161 Cb -0.14 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3gft h ARG 161 CO -0.08 0.82 0.37 0.93 -1.07 0.00 0.00 179.97 180.94 3gft h GLU 162 N 0.30 1.18 -0.59 0.04 4.39 -0.41 -1.85 114.58 117.63 3gft h GLU 162 Ca 0.01 -0.18 -0.09 0.00 0.34 0.00 0.00 59.36 59.43 3gft h GLU 162 Cb 1.03 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 3gft h GLU 162 CO 0.09 0.92 0.01 0.82 -1.16 0.00 0.00 179.01 179.69 3gft h ILE 163 N 1.15 1.27 -0.32 3.13 2.04 -0.56 -2.24 117.51 121.97 3gft h ILE 163 Ca 0.28 -1.13 -0.12 0.00 1.00 0.00 0.00 64.86 64.88 3gft h ILE 163 Cb 0.14 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3gft h ILE 163 CO -0.03 0.41 -0.30 0.03 0.00 0.00 0.00 178.15 178.25 3gft h ARG 164 N 0.94 0.69 -0.64 2.37 3.08 -1.15 0.64 114.38 120.30 3gft h ARG 164 Ca 0.17 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 3gft h ARG 164 Cb 0.54 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3gft h ARG 164 CO 0.03 0.91 0.16 0.87 -1.07 0.00 0.00 179.97 180.87 3gft h LYS 165 N 0.59 1.00 -0.03 0.04 1.57 -1.18 -3.15 116.57 115.42 3gft h LYS 165 Ca 0.07 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3gft h LYS 165 Cb 0.81 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3gft h LYS 165 CO 0.07 0.89 -0.12 1.25 -0.57 0.00 0.00 179.45 180.96 3gft h HIS 166 N 0.96 0.18 -0.03 -1.35 2.76 -1.12 -3.52 115.15 113.04 3gft h HIS 166 Ca 0.21 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3gft h HIS 166 Cb 0.33 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.26 3gft h HIS 166 CO 0.02 0.76 0.00 0.36 -1.30 0.00 0.00 177.93 177.77